methyl 2,2-dimethyl-4-oxidanylidene-5-phenylsulfanyl-pentanoate

Systemtic Name: methyl 2,2-dimethyl-4-oxidanylidene-5-phenylsulfanyl-pentanoate Openeye Name: methyl 2,2-dimethyl-4-oxo-5-phenylsulfanyl-pentanoate CAS Name: 2,2-dimethyl-4-oxo-5-(phenylthio)pentanoic acid methyl ester IUPAC Name: methyl 2,2-dimethyl-4-oxo-5-phenylsulfanylpentanoate Traditional Name: 4-keto-2,2-dimethyl-5-(phenylthio)valeric acid methyl ester Formula: C14H18O3S MolecularWeight: 266.35592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)CSC1=CC=CC=C1)C(=O)OC

Isomeric SMILES

CC(C)(CC(=O)CSC1=CC=CC=C1)C(=O)OC

InChI

InChI=1S/C14H18O3S/c1-14(2,13(16)17-3)9-11(15)10-18-12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3